SCHEMBL3595402

SCHEMBL3595402

CC1(C)Nc2cccc([NH])c2NC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
PDK2 Q15119 4/20 0.36
PDK4 Q16654 3/20 0.36
PDK1 Q15118 1/20 0.34
PDK3 Q15120 1/20 0.34
AKR1B1 P15121 6/20 0.33
RAD52 P43351 1/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MGAT2 Q10469 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RUNX1 Q01196 1/20 0.30
KMT2A Q03164 1/20 0.30
CBFB Q13951 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3599299 0.85 BRD4 (0.46) BRD4PDK2PDK4PDK1PDK3
SCHEMBL30559940 0.81 AKR1B1 (0.43) BRD4PDK2PDK4PDK1PDK3
SCHEMBL21624172 0.81 AKR1B1 (0.43) BRD4PDK2PDK4PDK1PDK3
SCHEMBL3595403 0.80 BRD4 (0.36) BRD4PDK2PDK4PDK1PDK3
SCHEMBL21624198 0.76 ALOX5 (0.45) BRD4GAAALDH1A1KDM4EMEN1
SCHEMBL21624183 0.76 CES1 (0.45) BRD4ALDH1A1KDM4EMEN1LMNA
SCHEMBL30559951 0.76 ALOX5 (0.45) BRD4GAAALDH1A1KDM4EMEN1
SCHEMBL30559945 0.76 CES1 (0.45) BRD4ALDH1A1KDM4EMEN1LMNA
SCHEMBL17817777 0.76 ALOX5 (0.51) BRD4GAAALDH1A1KDM4ELMNA
SCHEMBL30132988 0.76 ALOX5 (0.51) BRD4GAAALDH1A1KDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 BRD4 706/4885PDK2 3637/4885PDK4 3828/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.